Completing data — usually done within a minute
Basic information
- CAS
134104-43-1- Standard SMILES
COc1cccc(-n2cccn2)c1C#N- InChIKey
LMDYIHRFDRRZQA-UHFFFAOYSA-N- Molecular formula
- C11H9N3O
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.07456191
Names & identifiers
- Preferred name
- 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
- IUPAC
- 2-methoxy-6-pyrazol-1-ylbenzonitrile
Names & synonyms
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile2-methoxy-6-(1H-pyrazol-1-yl)benzonitrile134104-43-1SCHEMBL9048500LMDYIHRFDRRZQA-UHFFFAOYSA-NDTXSID2012691042-Methoxy-6-(Pyrazol-l-yl)-Benzonitrile
Database identifiers
- CAS
134104-43-1- PubChem CID
- 14880650
- DTXSID
DTXSID201269104
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
3 records
Compound notes
Loading…